Advances in Linear Free Energy Relationships

Advances in Linear Free Energy Relationships
Author: N. Chapman
Publisher: Springer Science & Business Media
Total Pages: 493
Release: 2012-12-06
Genre: Science
ISBN: 1461586607

Louis P. Hammett Mitchill Professor Emeritus of Chemistry, Columbia University My interest in linear free energy relationships began when, just out of graduate school, I read in 1924 the article by Bmnsted and Pedersen which for the first time reported the existence of such a relationship. That interest continues to be an active one and, to judge merely by the extensive biblio graphies contained in the present volume, it is widely shared. To my mind a particularly happy aspect of the existence of linear free energy relationships has been the proof it supplies that one need not suppose that the behavior of nature is hopelessly complicated merely because one cannot find a theoretical reason for supposing it to be otherwise. The effect of a substituent in an organic molecule on rate or equilibrium of reaction involves a fourfold difference between relatively large quantities, a situation which always makes for difficult theory. Yet systematic organic chemistry could hardly have existed were it not true that like changes in structure lead to like changes in reactivity. Linear free energy relationships constitute the quantitative specialisation of this fundamental principle, and they stand indeed more in the office of teacher to theory than in that of learner from it.

Free Energy Relationships in Organic and Bio-organic Chemistry

Free Energy Relationships in Organic and Bio-organic Chemistry
Author: Andrew Williams
Publisher: Royal Society of Chemistry
Total Pages: 316
Release: 2003
Genre: Education
ISBN: 9780854046768

Introducing the application of free energy correlations to elucidating the mechanisms of organic and bio-organic reactions, this book provides a new and illuminating way of approaching a potentially complex topic. The idea of how free energy correlations derive from polar substituent change is introduced, and common pitfalls encountered in the application of free energy relationships are described, along with the use of these anomalies in mechanistic studies. The concept of effective charge is described in detail, with examples of its application. Throughout, worked answers are provided for the problems posed. Databases of parameters, an extensive bibliography and comprehensive lists of further reading are also included. The text provides an invaluable source of information to senior undergraduates, postgraduates and to industrial researchers with an interest in mechanistic studies. It is the first such book in more than thirty years.

Correlation Analysis in Chemistry

Correlation Analysis in Chemistry
Author: N. Chapman
Publisher: Springer Science & Business Media
Total Pages: 557
Release: 2012-12-06
Genre: Science
ISBN: 1461588316

This book, Correlation Analysis in Chemistry: Recent Advances, is a sequel to our Advances in Linear Free Energy Relationships. t The change in the title is designed to reflect more accurately the nature of the field and the contents of the volume. The term LFER is still widely used, but it is often applied rather loosely to correlation equations that are not LFER in the restricted sense of a relationship involving logarithms of rate or equili brium constants on each side of the equation. The term "correlation analysis" seems to us more appropriate for the whole subject. The use of this term has compelled us also to introduce "chemistry" into the title; we have preferred not to prefix this with "organic" on the grounds that several areas of interest are not "organic chemistry" as usually understood, al though, of course, traditional applications of the basic relationships asso ciated with the names of Hammett and of Taft continue to be of interest. In the first volume we sought through our authors to provide a series of general articles covering the various aspects of the field as they seemed to us. Since the book was the first international research monograph in its field, each chapter, while giving prominence to recent developments, did not neglect earlier work, so that each article presented a comprehensive account of its own area.

Chemistry Education in the ICT Age

Chemistry Education in the ICT Age
Author: Minu Gupta Bhowon
Publisher: Springer Science & Business Media
Total Pages: 437
Release: 2009-07-21
Genre: Science
ISBN: 1402097328

th th The 20 International Conference on Chemical Education (20 ICCE), which had rd th “Chemistry in the ICT Age” as the theme, was held from 3 to 8 August 2008 at Le Méridien Hotel, Pointe aux Piments, in Mauritius. With more than 200 participants from 40 countries, the conference featured 140 oral and 50 poster presentations. th Participants of the 20 ICCE were invited to submit full papers and the latter were subjected to peer review. The selected accepted papers are collected in this book of proceedings. This book of proceedings encloses 39 presentations covering topics ranging from fundamental to applied chemistry, such as Arts and Chemistry Education, Biochemistry and Biotechnology, Chemical Education for Development, Chemistry at Secondary Level, Chemistry at Tertiary Level, Chemistry Teacher Education, Chemistry and Society, Chemistry Olympiad, Context Oriented Chemistry, ICT and Chemistry Education, Green Chemistry, Micro Scale Chemistry, Modern Technologies in Chemistry Education, Network for Chemistry and Chemical Engineering Education, Public Understanding of Chemistry, Research in Chemistry Education and Science Education at Elementary Level. We would like to thank those who submitted the full papers and the reviewers for their timely help in assessing the papers for publication. th We would also like to pay a special tribute to all the sponsors of the 20 ICCE and, in particular, the Tertiary Education Commission (http://tec.intnet.mu/) and the Organisation for the Prohibition of Chemical Weapons (http://www.opcw.org/) for kindly agreeing to fund the publication of these proceedings.

Free Energy Relationships in Organic and Bio-Organic Chemistry

Free Energy Relationships in Organic and Bio-Organic Chemistry
Author: Andrew Williams
Publisher: Royal Society of Chemistry
Total Pages: 316
Release: 2019-05-16
Genre: Science
ISBN: 1788018303

Introducing the application of free energy correlations to elucidating the mechanisms of organic and bio-organic reactions, this book provides a new and illuminating way of approaching a potentially complex topic. The idea of how free energy correlations derive from polar substituent change is introduced, and common pitfalls encountered in the application of free energy relationships are described, along with the use of these anomalies in mechanistic studies. The concept of effective charge is described in detail, with examples of its application. Throughout, worked answers are provided for the problems posed. Databases of parameters, an extensive bibliography and comprehensive lists of further reading are also included. The text provides an invaluable source of information to senior undergraduates, postgraduates and to industrial researchers with an interest in mechanistic studies. It is the first such book in more than thirty years.

Chemical Kinetics

Chemical Kinetics
Author: Kenneth Antonio Connors
Publisher: Wiley-VCH Verlag GmbH
Total Pages: 498
Release: 1990
Genre: Science
ISBN: 9781560810537

Chemical Kinetics The Study of Reaction Rates in Solution Kenneth A. Connors This chemical kinetics book blends physical theory, phenomenology and empiricism to provide a guide to the experimental practice and interpretation of reaction kinetics in solution. It is suitable for courses in chemical kinetics at the graduate and advanced undergraduate levels. This book will appeal to students in physical organic chemistry, physical inorganic chemistry, biophysical chemistry, biochemistry, pharmaceutical chemistry and water chemistry all fields concerned with the rates of chemical reactions in the solution phase.

Chemical Kinetics and Reaction Dynamics

Chemical Kinetics and Reaction Dynamics
Author: Santosh K. Upadhyay
Publisher: Springer Science & Business Media
Total Pages: 256
Release: 2007-04-29
Genre: Science
ISBN: 1402045476

Chemical Kinetics and Reaction Dynamics brings together the major facts and theories relating to the rates with which chemical reactions occur from both the macroscopic and microscopic point of view. This book helps the reader achieve a thorough understanding of the principles of chemical kinetics and includes: Detailed stereochemical discussions of reaction steps Classical theory based calculations of state-to-state rate constants A collection of matters on kinetics of various special reactions such as micellar catalysis, phase transfer catalysis, inhibition processes, oscillatory reactions, solid-state reactions, and polymerization reactions at a single source. The growth of the chemical industry greatly depends on the application of chemical kinetics, catalysts and catalytic processes. This volume is therefore an invaluable resource for all academics, industrial researchers and students interested in kinetics, molecular reaction dynamics, and the mechanisms of chemical reactions.

pKa Prediction for Organic Acids and Bases

pKa Prediction for Organic Acids and Bases
Author: D. Perrin
Publisher: Springer Science & Business Media
Total Pages: 154
Release: 2013-06-29
Genre: Science
ISBN: 9400958838

Many chemists and biochemists require to know the ionization constants of organic acids and bases. This is evident from the Science Citation Index which lists The Determination of Ionization Constants by A. Albert and E. P. Serjeant (1971) as one of the most widely quoted books in the chemical literature. Although, ultimately, there is no satisfactory alternative to experimental measurement, it is not always convenient or practicable to make the necessary measure ments and calculations. Moreover, the massive pK. compilations currently available provide values for only a small fraction of known or possible acids or bases. For example, the compilations listed in Section 1. 3 give pK. data for some 6 000--8 000 acids, whereas if the conservative estimate is made that there are one hundred different substituent groups available to substitute in the benzene ring of benzoic acid, approximately five million tri-substituted benzoic acids are theoretically possible. Thus we have long felt that it is useful to consider methods by which a pK. value might be predicted as an interim value to within several tenths of a pH unit using arguments based on linear free energy relationships, by analogy, by extrapolation, by interpolation from existing data, or in some other way. This degree of precision may be adequate for many purposes such as the recording of spectra of pure species (as anion, neutral molecule or cation), for selection of conditions favourable to solvent extraction, and for the interpretation of pH-profiles for organic reactions.

Environmental Organic Chemistry

Environmental Organic Chemistry
Author: René P. Schwarzenbach
Publisher: John Wiley & Sons
Total Pages: 1329
Release: 2005-06-24
Genre: Science
ISBN: 0471743992

Environmental Organic Chemistry focuses on environmental factors that govern the processes that determine the fate of organic chemicals in natural and engineered systems. The information discovered is then applied to quantitatively assessing the environmental behaviour of organic chemicals. Now in its 2nd edition this book takes a more holistic view on physical-chemical properties of organic compounds. It includes new topics that address aspects of gas/solid partitioning, bioaccumulation, and transformations in the atmosphere. Structures chapters into basic and sophisticated sections Contains illustrative examples, problems and case studies Examines the fundamental aspects of organic, physical and inorganic chemistry - applied to environmentally relevant problems Addresses problems and case studies in one volume